4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole

C27H34N2O2 — CID 138114926

IUPAC4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)c1ccc(C2COC(CC3=NC(c4ccc(C(C)(C)C)cc4)CO3)=N2)cc1
InChIInChI=1S/C27H34N2O2/c1-26(2,3)20-11-7-18(8-12-20)22-16-30-24(28-22)15-25-29-23(17-31-25)19-9-13-21(14-10-19)27(4,5)6/h7-14,22-23H,15-17H2,1-6H3
InChIKeyUETJCTYMISNGSC-UHFFFAOYSA-N
MW418.58 g/mol
LogP6.31
Rot. Bonds4

About 4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole

4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 138114926) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID138114926
Molecular FormulaC27H34N2O2
Molecular Weight418.58 g/mol
Exact Mass418.26
IUPAC Name4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)c1ccc(C2COC(CC3=NC(c4ccc(C(C)(C)C)cc4)CO3)=N2)cc1
InChIInChI=1S/C27H34N2O2/c1-26(2,3)20-11-7-18(8-12-20)22-16-30-24(28-22)15-25-29-23(17-31-25)19-9-13-21(14-10-19)27(4,5)6/h7-14,22-23H,15-17H2,1-6H3
InChIKeyUETJCTYMISNGSC-UHFFFAOYSA-N
XLogP6.31
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole (CID 138114926) is 4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole is CC(C)(C)c1ccc(C2COC(CC3=NC(c4ccc(C(C)(C)C)cc4)CO3)=N2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is UETJCTYMISNGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O2/c1-26(2,3)20-11-7-18(8-12-20)22-16-30-24(28-22)15-25-29-23(17-31-25)19-9-13-21(14-10-19)27(4,5)6/h7-14,22-23H,15-17H2,1-6H3.
What are the key properties of 4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 418.58 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 138114926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).